SCHEMBL14715933

SCHEMBL14715933

COC(=O)Cc1ccc(OC)c(Oc2ccc(N)cc2CSC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
GAA P10253 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GFER P55789 1/20 0.43
CTSD P07339 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
CYP19A1 P11511 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TLR7 Q9NYK1 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL349119 0.91 CYP3A4 (0.55) CYP3A4GAAALDH1A1CTSDMTNR1A
SCHEMBL14733242 0.87 CYP3A4 (0.56) CYP3A4GAAALDH1A1CTSDMAPT
SCHEMBL14733241 0.86 CYP3A4 (0.68) CYP3A4GAAALDH1A1GFERMTNR1A
SCHEMBL12515659 0.85 CYP3A4 (0.58) CYP3A4ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL2361747 0.84 CYP3A4 (0.85) CYP3A4ALDH1A1MTNR1AMTNR1BCYP1A2
SCHEMBL13521928 0.82 CYP3A4 (0.55) CYP3A4GAAALDH1A1CTSDMAPT
SCHEMBL349664 0.81 CYP3A4 (0.40) CYP3A4GAAALDH1A1GFERMAPT
SCHEMBL349776 0.80 CYP3A4 (0.44) CYP3A4ALDH1A1MAPTLMNAHTT
SCHEMBL13521872 0.79 CYP3A4 (0.56) CYP3A4ALDH1A1MAPTLMNAPOLB
SCHEMBL13521926 0.79 CYP3A4 (0.69) CYP3A4GAAALDH1A1MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGDR2, PTGES2 CYP3A4 2497/4885GAA 3084/4885ALDH1A1 739/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.